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Tetrahydro-2-furanylmethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

Tetrahydro-2-furanylmethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID GOhRQ9PSFyK
InChI InChI=1S/C24H28BrNO4/c1-14-20(23(28)30-13-15-7-6-10-29-15)21(16-8-4-5-9-17(16)25)22-18(26-14)11-24(2,3)12-19(22)27/h4-5,8-9,15,21,26H,6-7,10-13H2,1-3H3
InChIKey HXECXALATMHGLK-UHFFFAOYSA-N
Mol Weight 474.4 g/mol
Molecular Formula C24H28BrNO4
Exact Mass 473.120171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSQKmAVjZ2w
Name Tetrahydro-2-furanylmethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.120171382 u
Formula C24H28BrNO4
InChI InChI=1S/C24H28BrNO4/c1-14-20(23(28)30-13-15-7-6-10-29-15)21(16-8-4-5-9-17(16)25)22-18(26-14)11-24(2,3)12-19(22)27/h4-5,8-9,15,21,26H,6-7,10-13H2,1-3H3
InChIKey HXECXALATMHGLK-UHFFFAOYSA-N
Molecular Weight 474.395 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=C(Br)C=CC=C1)C(OCC1OCCC1)=O)C